2-[2-(2,3-dihydrobenzo[g][1,4]benzodioxin-3-yl)ethyl-methylamino]ethanol

C17H21NO3 — CID 3063614

IUPAC2-[2-(2,3-dihydrobenzo[g][1,4]benzodioxin-3-yl)ethyl-methylamino]ethanol
SMILESCN(CCO)CCC1COc2cc3ccccc3cc2O1
InChIInChI=1S/C17H21NO3/c1-18(8-9-19)7-6-15-12-20-16-10-13-4-2-3-5-14(13)11-17(16)21-15/h2-5,10-11,15,19H,6-9,12H2,1H3
InChIKeyDUCCQFHDBYNWJX-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.29
Rot. Bonds5

About 2-[2-(2,3-dihydrobenzo[g][1,4]benzodioxin-3-yl)ethyl-methylamino]ethanol

2-[2-(2,3-dihydrobenzo[g][1,4]benzodioxin-3-yl)ethyl-methylamino]ethanol (PubChem CID 3063614) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[2-(2,3-dihydrobenzo[g][1,4]benzodioxin-3-yl)ethyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[2-(2,3-dihydrobenzo[g][1,4]benzodioxin-3-yl)ethyl-methylamino]ethanol
PubChem CID3063614
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[2-(2,3-dihydrobenzo[g][1,4]benzodioxin-3-yl)ethyl-methylamino]ethanol
SMILESCN(CCO)CCC1COc2cc3ccccc3cc2O1
InChIInChI=1S/C17H21NO3/c1-18(8-9-19)7-6-15-12-20-16-10-13-4-2-3-5-14(13)11-17(16)21-15/h2-5,10-11,15,19H,6-9,12H2,1H3
InChIKeyDUCCQFHDBYNWJX-UHFFFAOYSA-N
XLogP2.29
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydrobenzo[h][1,4]benzodioxin-2-ylmethanol
CID 13157038
[(2R)-2,3-dihydrobenzo[h][1,4]benzodioxin-2-yl]methanol
CID 102377836
3-(hydroxymethyl)-2,3-dihydropyrano[3,2-g][1,4]benzodioxin-7-one
CID 22664924
(3R)-3-(2-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 92980685
[(2S)-6-hydrazinyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol
CID 89334694
[(3S)-6-amino-2,3-dihydro-1,4-benzodioxin-3-yl]methanol
CID 131182312
3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N,N-dimethylpropanamide
CID 3064428
1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 18153416
3-tert-butyl-2,3-dihydro-1,4-benzodioxine;3-tert-butyl-2,3-dihydrobenzo[g][1,4]benzodioxine;ethane;methane
CID 160744755
(3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
CID 736477
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-methylpropan-1-amine
CID 59144891
2-(2-bromoethyl)-6-methyl-2,3-dihydro-1,4-benzodioxine
CID 20522114

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydrobenzo[g][1,4]benzodioxin-3-yl)ethyl-methylamino]ethanol?
The IUPAC name of 2-[2-(2,3-dihydrobenzo[g][1,4]benzodioxin-3-yl)ethyl-methylamino]ethanol (CID 3063614) is 2-[2-(2,3-dihydrobenzo[g][1,4]benzodioxin-3-yl)ethyl-methylamino]ethanol.
What is the SMILES notation for 2-[2-(2,3-dihydrobenzo[g][1,4]benzodioxin-3-yl)ethyl-methylamino]ethanol?
The canonical SMILES for 2-[2-(2,3-dihydrobenzo[g][1,4]benzodioxin-3-yl)ethyl-methylamino]ethanol is CN(CCO)CCC1COc2cc3ccccc3cc2O1.
What is the InChIKey of 2-[2-(2,3-dihydrobenzo[g][1,4]benzodioxin-3-yl)ethyl-methylamino]ethanol?
The InChIKey is DUCCQFHDBYNWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-18(8-9-19)7-6-15-12-20-16-10-13-4-2-3-5-14(13)11-17(16)21-15/h2-5,10-11,15,19H,6-9,12H2,1H3.
What are the key properties of 2-[2-(2,3-dihydrobenzo[g][1,4]benzodioxin-3-yl)ethyl-methylamino]ethanol?
2-[2-(2,3-dihydrobenzo[g][1,4]benzodioxin-3-yl)ethyl-methylamino]ethanol has a molecular weight of 287.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydrobenzo[g][1,4]benzodioxin-3-yl)ethyl-methylamino]ethanol is sourced from PubChem (CID 3063614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).